3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide

C16H20N2O4S — CID 3618561

IUPAC3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H20N2O4S/c1-12(10-14-7-5-9-22-14)17-16(19)13-6-4-8-15(11-13)23(20,21)18(2)3/h4-9,11-12H,10H2,1-3H3,(H,17,19)
InChIKeyBMADKVZKOZTBGN-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.89
Rot. Bonds6

About 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide

3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide (PubChem CID 3618561) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
PubChem CID3618561
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide
SMILESCC(Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C16H20N2O4S/c1-12(10-14-7-5-9-22-14)17-16(19)13-6-4-8-15(11-13)23(20,21)18(2)3/h4-9,11-12H,10H2,1-3H3,(H,17,19)
InChIKeyBMADKVZKOZTBGN-UHFFFAOYSA-N
XLogP1.89
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Carb-KB51
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4-Dipropylsulfamoyl-N-furan-2-ylmethyl-benzamide
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N-Furan-2-ylmethyl-4-(4-methyl-piperidine-1-sulfonyl)-benzamide
CID 1044182
4-(dimethylsulfamoyl)-N-(2-phenoxyethyl)benzamide
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N-Furan-2-ylmethyl-4-[(tetrahydro-furan-2-ylmethyl)-sulfamoyl]-benzamide
CID 645494
N-(2-furylmethyl)-4-({[(4-methylphenyl)sulfonyl]amino}methyl)cyclohexanecarboxamide
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Sulpiride hydrochloride
CID 3015163

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide (CID 3618561) is 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide is CC(Cc1ccco1)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide?
The InChIKey is BMADKVZKOZTBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-12(10-14-7-5-9-22-14)17-16(19)13-6-4-8-15(11-13)23(20,21)18(2)3/h4-9,11-12H,10H2,1-3H3,(H,17,19).
What are the key properties of 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide?
3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide has a molecular weight of 336.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[1-(furan-2-yl)propan-2-yl]benzamide is sourced from PubChem (CID 3618561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).